(3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide

C19H24N2O3S2 — CID 31942735

IUPAC(3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c(C)c1
InChIInChI=1S/C19H24N2O3S2/c1-13-10-14(2)18(15(3)11-13)20-19(22)16-6-4-8-21(12-16)26(23,24)17-7-5-9-25-17/h5,7,9-11,16H,4,6,8,12H2,1-3H3,(H,20,22)/t16-/m1/s1
InChIKeyBOAQMNHRYZSTBG-MRXNPFEDSA-N
MW392.55 g/mol
LogP3.71
Rot. Bonds4

About (3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide

(3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide (PubChem CID 31942735) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is (3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
PubChem CID31942735
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name(3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c(C)c1
InChIInChI=1S/C19H24N2O3S2/c1-13-10-14(2)18(15(3)11-13)20-19(22)16-6-4-8-21(12-16)26(23,24)17-7-5-9-25-17/h5,7,9-11,16H,4,6,8,12H2,1-3H3,(H,20,22)/t16-/m1/s1
InChIKeyBOAQMNHRYZSTBG-MRXNPFEDSA-N
XLogP3.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826177
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 42923024
N-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 5135700
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
(3R)-N'-(4-methylbenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 9086805
(3S)-N-(4-methoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51427170
1-thiophen-2-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 55412270
N-(2,6-dichlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 3428690
(3S)-1-(4-chlorophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 40726995
(3R)-1-(4-fluorophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 26687885

Frequently Asked Questions

What is the IUPAC name of (3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide (CID 31942735) is (3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide is Cc1cc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c(C)c1.
What is the InChIKey of (3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide?
The InChIKey is BOAQMNHRYZSTBG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-13-10-14(2)18(15(3)11-13)20-19(22)16-6-4-8-21(12-16)26(23,24)17-7-5-9-25-17/h5,7,9-11,16H,4,6,8,12H2,1-3H3,(H,20,22)/t16-/m1/s1.
What are the key properties of (3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide?
(3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 31942735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).